Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 4/20 | 0.41 |
| ▸ | GSR | P00390 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MERTK | Q12866 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18011022 | 0.85 | TSHR (0.41) | TXNRD1GSRTDP1TSHRALDH1A1 | |
| SCHEMBL18188288 | 0.81 | MAPT (0.42) | TXNRD1GSRTDP1PIN1TSHR | |
| SCHEMBL111594 | 0.80 | ALDH1A1 (0.41) | TXNRD1TDP1TSHRALDH1A1NCOA1 | |
| SCHEMBL29868909 | 0.80 | ALDH1A1 (0.41) | TXNRD1TDP1TSHRALDH1A1NCOA1 | |
| SCHEMBL27648695 | 0.80 | TXNRD1 (0.39) | TXNRD1GSRTDP1TSHRALDH1A1 | |
| SCHEMBL136263 | 0.79 | CTSB (0.53) | TDP1PIN1TSHRMAPK1ALDH1A1 | |
| SCHEMBL30574931 | 0.79 | CTSB (0.53) | TDP1PIN1TSHRMAPK1ALDH1A1 | |
| Methylene Chloride SCHEMBL27897833 | 0.78 | CTSB (0.49) | TDP1PIN1TSHRMAPK1ALDH1A1 | |
| SCHEMBL11237457 | 0.77 | MAP4K4 (0.45) | PIN1MAPK1ALDH1A1NCOA1NCOA3 | |
| SCHEMBL56616 | 0.76 | MAPT (0.50) | TXNRD1GSRTDP1PIN1TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102741251-A | Fused pyridine derivatives | SHANDONG XUANZHU MEDICINAL CO LTD | 2012-10-17 | — | — | CN | disclosed |
| US-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | US | disclosed |
| US-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | US | disclosed |
| US-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | US | disclosed |
| EP-2408769-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | Glaxo Group Limited (GB) | 2012-01-25 | — | — | EP | disclosed |
| CN-102127072-A | Pyridine cyclo-derivative | SHANDONG XUANZHU PHARMACEUTICAL CO LTD | 2011-07-20 | — | — | CN | disclosed |
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | WO | disclosed |
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | DTYMK, ITK, DCK | TXNRD1 2307/4885GSR 4163/4885TDP1 370/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.